6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine

C7H5BrF3N — CID 130095142

IUPAC6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
SMILESFCc1nc(Br)ccc1C(F)F
InChIInChI=1S/C7H5BrF3N/c8-6-2-1-4(7(10)11)5(3-9)12-6/h1-2,7H,3H2
InChIKeyFOHRFHHGRXUUKT-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.25
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine

6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine (PubChem CID 130095142) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
PubChem CID130095142
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
SMILESFCc1nc(Br)ccc1C(F)F
InChIInChI=1S/C7H5BrF3N/c8-6-2-1-4(7(10)11)5(3-9)12-6/h1-2,7H,3H2
InChIKeyFOHRFHHGRXUUKT-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
3-(difluoromethyl)-6-fluoro-2-(fluoromethyl)pyridine
CID 130096389
methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134671182
6-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130095345
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
3-chloro-4-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095551
4-(difluoromethyl)-2-(fluoromethyl)pyridin-3-ol
CID 118801747
(6-bromo-3-fluoro-2-pyridinyl)methanamine
CID 112694257
6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine
CID 176611254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine (CID 130095142) is 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine is FCc1nc(Br)ccc1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine?
The InChIKey is FOHRFHHGRXUUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c8-6-2-1-4(7(10)11)5(3-9)12-6/h1-2,7H,3H2.
What are the key properties of 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine?
6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine has a molecular weight of 240.02 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine is sourced from PubChem (CID 130095142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).